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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'tyrosine-protein phosphatase non-receptor type 12 isoform 2' and Ligand = 'BDBM61178'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM61178
PNG
(2-[4-[[6-carbethoxy-5-(4-isopropoxyphenyl)-3-keto-...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8|
Show InChI InChI=1S/C28H28N2O7S/c1-5-35-27(34)24-17(4)29-28-30(25(24)19-8-12-21(13-9-19)37-16(2)3)26(33)22(38-28)14-18-6-10-20(11-7-18)36-15-23(31)32/h6-14,16,25H,5,15H2,1-4H3,(H,31,32)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair